Isoxazole,5-(chloromethyl)-3-methyl- supplier

Name
5-(CHLOROMETHYL)-3-METHYLISOXAZOLE
EINECS
CAS No. 40340-41-8
Article Data12
CAS DataBase
Density 1.202 g/cm³
Solubility
Melting Point
Formula C₅H₆ClNO
Boiling Point 211.6 °C at 760 mmHg
Molecular Weight 131.562
Flash Point 81.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methyl-5-(chloromethyl)isoxazole;5-(Chloromethyl)-3-methyl-1,2-oxazole;5-(Chloromethyl)-3-methylisoxazole;
PSA 26.03000
LogP 1.72180

Isoxazole,5-(chloromethyl)-3-methyl- Specification

The CAS registry number of Isoxazole,5-(chloromethyl)-3-methyl- is 40340-41-8. The IUPAC name is 5-(chloromethyl)-3-methylisoxazole. In addition, the molecular formula is C₅H₆ClNO and the molecular weight is 131.56. It is irritating and it should be stored in a cool and dry place.

Physical properties about Isoxazole,5-(chloromethyl)-3-methyl- are: (1)ACD/LogP: 0.81; (2)ACD/LogD (pH 5.5): 0.81; (3)ACD/LogD (pH 7.4): 0.81; (4)ACD/BCF (pH 5.5): 2.42; (5)ACD/BCF (pH 7.4): 2.42; (6)ACD/KOC (pH 5.5): 65.6; (7)ACD/KOC (pH 7.4): 65.6; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å²; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 31.23 cm³; (13)Molar Volume: 109.4 cm³; (14)Polarizability: 12.38 ×10^-24cm³; (15)Surface Tension: 36.1 dyne/cm; (16)Density: 1.202 g/cm³; (17)Flash Point: 81.8 °C; (18)Enthalpy of Vaporization: 42.96 kJ/mol; (19)Boiling Point: 211.6 °C at 760 mmHg; (20)Vapour Pressure: 0.263 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1onc(c1)C
(2)InChI: InChI=1/C5H6ClNO/c1-4-2-5(3-6)8-7-4/h2H,3H2,1H3
(3)InChIKey: ZWBJJNWJUXXFNP-UHFFFAOYAM

Product Name

5-(CHLOROMETHYL)-3-METHYLISOXAZOLE

Isoxazole,5-(chloromethyl)-3-methyl- Specification

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